2-[2-(2,4-ditert-butylphenoxy)ethanoyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-(2,4-ditert-butylphenoxy)ethanoyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(2,4-ditert-butylphenoxy)acetyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-(2,4-ditert-butylphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(2,4-ditert-butylphenoxy)acetyl]-4-methyl-thiazole-5-carboxylic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(=O)COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C(=O)COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-12-17(19(24)25)27-18(22-12)15(23)11-26-16-9-8-13(20(2,3)4)10-14(16)21(5,6)7/h8-10H,11H2,1-7H3,(H,24,25)